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The BioLeap Advantage

Limitations of Past Approaches

Current approaches, including docking and virtual screening, are only capable of evaluating existing compounds. The limited libraries used in these approaches do not adequately represent the range of possible ligands. Even within these limited libraries, current approaches often do not live up to the promise of predicting which compounds will bind targets of interest.

First generation fragment-based methods have been clumsy and have proved unable to rank the large number of assembled compounds by potency. Furthermore, these automated design processes yield compounds which pose synthetic challenges, are difficult to make, and are not ‘drug-like.’

The BioLeap Advantage

BioLeap has engineered a revolutionary, performance-optimized fragment-based algorithm which results in a practical method for reliably determining how fragments bind. Our technology determines accurate free energy rankings and principled conformational distributions, including the incorporation and ranking of tightly-bound water molecules.

Our simplified, chemist-guided tools for ligand assembly and evaluation allow drug designers to search large fragment datasets for potent scaffolds and substitutions, all while understanding why ligands do or do not bind. BioLeap increases the likelihood of success by controlling key attrition factors:

• Target affinity
• Target selectivity
• Molecular weight
• Lipophilicity

At its very core, our technology changes the culture of drug design, allowing the chemist to participate centrally as an active drug designer and bring to bear chemical wisdom, not just as a critic.